Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 9/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | SLC6A1 | P30531 | 1/20 | 0.43 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.41 |
| ▸ | ALPI | P09923 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | XIAP | P98170 | 1/20 | 0.40 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.38 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7323114 | 1.00 | KIF11 (0.55) | KIF11CYP1A2CYP2C19HIF1ASLC6A1 | |
| SCHEMBL7326122 | 0.91 | KIF11 (0.59) | KIF11CYP1A2CYP2C19HIF1ASLC6A1 | |
| SCHEMBL7318407 | 0.91 | KIF11 (0.59) | KIF11CYP1A2CYP2C19HIF1ASLC6A1 | |
| SCHEMBL7325201 | 0.91 | CYP1A2 (0.59) | KIF11CYP1A2CYP2C19HIF1ASLC6A1 | |
| SCHEMBL7313597 | 0.89 | KIF11 (0.49) | KIF11CYP1A2CYP2C19HIF1ASLC6A1 | |
| SCHEMBL7326447 | 0.87 | KIF11 (0.47) | KIF11CYP1A2CYP2C19HIF1ASLC6A1 | |
| SCHEMBL7322800 | 0.86 | KIF11 (0.45) | KIF11CYP1A2CYP2C19HIF1ASLC6A1 | |
| SCHEMBL7318773 | 0.86 | KIF11 (0.44) | KIF11CYP1A2CYP2C19HIF1ASLC6A1 | |
| SCHEMBL7324156 | 0.86 | KIF11 (0.50) | KIF11CYP1A2CYP2C19HIF1ASLC1A5 | |
| SCHEMBL7311886 | 0.86 | KIF11 (0.43) | KIF11CYP1A2CYP2C19HIF1ASLC1A5 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999041227-A1 | TRICYCLIC COMPOUNDS AS GLYCINE TRANSPORT INHIBITORS | ALLELIX NEUROSCIENCE, INC. (US) | 1999-08-19 | — | — | WO | claimed |
| US-6162824-A | NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS | ALLELIX NEUROSCIENCE INC. | 2000-12-19 | — | — | US | disclosed |
| WO-1999041227-A1 | TRICYCLIC COMPOUNDS AS GLYCINE TRANSPORT INHIBITORS | ALLELIX NEUROSCIENCE, INC. (US) | 1999-08-19 | — | — | WO | disclosed |